Hercules 7846-D
TL;DR: Hercules 7846-D (CAS 3759-95-3) is a chemical compound with molecular formula C12H16NO3PS3 and molecular weight 349.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzothiazol-2-one
Also Known As: Hercules 7846-D, 4-Phenoxyphenylacetic acid, 2-(4-Phenoxyphenyl)acetic acid, ENT 25,873, AI3-25938
| Molecular Formula | C12H16NO3PS3 |
|---|---|
| Molecular Weight | 349.00 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.003 |
| Heavy Atoms | 20 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 3759-95-3 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCN1C2=CC=CC=C2SC1=O |
| InChIKey | ZPJYFNFFEIIYRC-UHFFFAOYSA-N |
Product Overview
Hercules 7846-D (CAS 3759-95-3), with molecular formula C12H16NO3PS3 and molecular weight 349.00 g/mol. IUPAC: 3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzothiazol-2-one.
Chemical Property Profile of Hercules 7846-D
Property Insights of Hercules 7846-D
The XLogP value of 4.1 indicates that Hercules 7846-D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hercules 7846-D. Following Lipinski's Rule of Five, Hercules 7846-D has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hercules 7846-D?
The CAS number of Hercules 7846-D is 3759-95-3.
What is the molecular formula of Hercules 7846-D?
The molecular formula of Hercules 7846-D is C12H16NO3PS3.
What is the molecular weight of Hercules 7846-D?
The molecular weight of Hercules 7846-D is 349.00 g/mol.
Where can I buy Hercules 7846-D?
You can request a quote for Hercules 7846-D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hercules 7846-D?
Yes, KEHONG BIO provides custom synthesis services for Hercules 7846-D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.